CID 9561521

7255-70-1

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CCCCC(CC)/C=N/NC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H20N4O2/c1-3-5-6-11(4-2)9-15-16-13-8-7-12(10-14-13)17(18)19/h7-11H,3-6H2,1-2H3,(H,14,16)/b15-9+
InChIKey
WNRPDSCCUJCKQP-OQLLNIDSSA-N
Compound name
N-[(E)-2-ethylhexylideneamino]-5-nitropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15863 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.165906 161.6
[M+Na]+ 287.147848 165.6
[M-H]- 263.151354 164.6
[M+NH4]+ 282.192453 176.0
[M+K]+ 303.121788 159.5
[M+H-H2O]+ 247.155890 157.6
[M+HCOO]- 309.156831 187.4
[M+CH3COO]- 323.172481 200.0
[M+Na-2H]- 285.133296 168.1
[M]+ 264.15808142 161.4
[M]- 264.15917858 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.